3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide

C22H24N4O3 — CID 113202632

IUPAC3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
SMILESCC1CCN(c2ccc(NC(=O)CCN3C(=O)c4cccnc4C3=O)cc2)CC1
InChIInChI=1S/C22H24N4O3/c1-15-8-12-25(13-9-15)17-6-4-16(5-7-17)24-19(27)10-14-26-21(28)18-3-2-11-23-20(18)22(26)29/h2-7,11,15H,8-10,12-14H2,1H3,(H,24,27)
InChIKeyKFJVCMJPCBPVNF-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.94
Rot. Bonds5

About 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide

3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide (PubChem CID 113202632) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
PubChem CID113202632
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
SMILESCC1CCN(c2ccc(NC(=O)CCN3C(=O)c4cccnc4C3=O)cc2)CC1
InChIInChI=1S/C22H24N4O3/c1-15-8-12-25(13-9-15)17-6-4-16(5-7-17)24-19(27)10-14-26-21(28)18-3-2-11-23-20(18)22(26)29/h2-7,11,15H,8-10,12-14H2,1H3,(H,24,27)
InChIKeyKFJVCMJPCBPVNF-UHFFFAOYSA-N
XLogP2.94
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113202630
N-(4-acetamidophenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
CID 113202622
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 113202585
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1-methylpyrazol-4-yl)propanamide
CID 71708206
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(3-methylphenyl)propanamide
CID 113202571
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
CID 113202650
5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide
CID 43346973
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(2-methylpropyl)propanamide
CID 71946746
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(1,3-oxazol-4-yl)propanamide
CID 110679108
2-(dimethylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide
CID 110299291
N-(3-acetylphenyl)-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)butanamide
CID 4604415
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-(3-methylpyrrolidin-1-yl)-4-oxobutanamide
CID 86897059

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide (CID 113202632) is 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide is CC1CCN(c2ccc(NC(=O)CCN3C(=O)c4cccnc4C3=O)cc2)CC1.
What is the InChIKey of 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide?
The InChIKey is KFJVCMJPCBPVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-8-12-25(13-9-15)17-6-4-16(5-7-17)24-19(27)10-14-26-21(28)18-3-2-11-23-20(18)22(26)29/h2-7,11,15H,8-10,12-14H2,1H3,(H,24,27).
What are the key properties of 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide?
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide has a molecular weight of 392.46 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 113202632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).